SCHEMBL4946158

SCHEMBL4946158

CCc1c(C(=O)C(=O)O)c2ccc(-c3ccc(OC(F)(F)F)cc3)cc2n1Cc1ccc(C(C)(C)C)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 7/20 0.60
PLA2G2A P14555 2/20 0.44
PPARG P37231 8/20 0.41
PPARA Q07869 5/20 0.41
CACNA1H O95180 1/20 0.41
EPHX2 P34913 1/20 0.41
NR1H4 Q96RI1 1/20 0.41
CCR9 P51686 1/20 0.39
CYP2C9 P11712 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
CYP4X1 Q8N118 1/20 0.39
EGFR P00533 1/20 0.39
CHRM4 P08173 1/20 0.39
ADRB1 P08588 1/20 0.39
ADRA2A P08913 1/20 0.39
ALOX5 P09917 1/20 0.39
ADRB3 P13945 1/20 0.39
DRD2 P14416 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4937642 0.93 SERPINE1 (0.65) SERPINE1PLA2G2APPARGCACNA1HEPHX2
SCHEMBL5571635 0.79 PLA2G2A (0.57) SERPINE1PLA2G2APPARG
SCHEMBL4050213 0.79 SERPINE1 (0.86) SERPINE1PPARGCACNA1HEPHX2NR1H4
SCHEMBL3860615 0.76 SERPINE1 (0.53) SERPINE1PLA2G2APPARGCYP2C9CYP1A2
SCHEMBL4752947 0.75 SERPINE1 (1.00) SERPINE1CACNA1HEPHX2NR1H4
SCHEMBL3868032 0.75 SERPINE1 (0.62) SERPINE1PLA2G2APPARGCYP2C9CYP1A2
SCHEMBL3845107 0.74 SERPINE1 (0.58) SERPINE1PLA2G2APPARG
SCHEMBL3857761 0.74 SERPINE1 (0.51) SERPINE1PLA2G2APPARG
SCHEMBL4936611 0.73 SERPINE1 (0.69) SERPINE1CACNA1HEPHX2NR1H4
SCHEMBL4937637 0.69 SERPINE1 (0.80) SERPINE1CACNA1HEPHX2NR1H4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080214647-A1 SUBSTITUTED INDOLE ACID DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR-1 (PAI-1) WYETH (US) 2008-09-04 US disclosed
US-7368471-B2 Substituted indole acid derivatives as inhibitors of plasminogen activator inhibitor-1 (PAI-1) WYETH (US) 2008-05-06 US disclosed
EP-1844771-A2 Substituted indole acid derivatives as inhibitors of plasminogen activator inhibitor-1 (PAI-1) Wyeth (US) 2007-10-17 EP disclosed
EP-1397130-B1 SUBSTITUTED INDOLE ACID DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR-1 (PAI-1) WYETH CORP (US) 2007-07-25 EP disclosed
US-20060167059-A1 Substituted indole acid derivatives as inhibitors of plasminogen activator inhibitor-1 (PAI-1) WYETH (US) 2006-07-27 US disclosed
US-7074817-B2 Substituted indole acid derivatives as inhibitors of plasminogen activator inhibitor-1 (PAI-1) WYETH (US) 2006-07-11 US disclosed
EP-1397130-A1 SUBSTITUTED INDOLE ACID DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR-1 (PAI-1) Wyeth (US) 2004-03-17 EP disclosed
US-20030125371-A1 Substituted indole acid derivatives as inhibitors of plasminogen activator inhibitor-1 (PAI-1) WYETH 2003-07-03 US disclosed
WO-2003000253-A1 SUBSTITUTED INDOLE ACID DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR-1 (PAI-1) WYETH (US) 2003-01-03 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080214647-A1 SUBSTITUTED INDOLE ACID DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR-1 (PAI-1) SERPINE1, TFPI, F12 SERPINE1 1/4885PLA2G2A 582/4885PPARG 481/4885
US-20060167059-A1 Substituted indole acid derivatives as inhibitors of plasminogen activator inhibitor-1 (PAI-1) SERPINE1, TFPI, F12 SERPINE1 1/4885PLA2G2A 576/4885PPARG 483/4885
US-20030125371-A1 Substituted indole acid derivatives as inhibitors of plasminogen activator inhibitor-1 (PAI-1) TFPI, SERPINE1, PLAT SERPINE1 2/4885PLA2G2A 538/4885PPARG 616/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.